[125404] trunk/dports/science/wannier90

[dstrubbe at macports.org]

Revision: 125404
          https://trac.macports.org/changeset/125404
Author:   dstrubbe at macports.org
Date:     2014-09-16 16:01:33 -0700 (Tue, 16 Sep 2014)
Log Message:
-----------
wannier90: update to 2.0.0. Make a make.sys since there is not a default one anymore. Add patch to enable parallel build. Install new executables. Enable tests. Remove unneeded Fortran compiler types.

Modified Paths:
--------------
    trunk/dports/science/wannier90/Portfile

Added Paths:
-----------
    trunk/dports/science/wannier90/files/
    trunk/dports/science/wannier90/files/patch-utility-w90pov-Makefile.diff

Modified: trunk/dports/science/wannier90/Portfile
===================================================================
--- trunk/dports/science/wannier90/Portfile	2014-09-16 22:57:33 UTC (rev 125403)
+++ trunk/dports/science/wannier90/Portfile	2014-09-16 23:01:33 UTC (rev 125404)
@@ -5,7 +5,7 @@
 PortGroup           compilers 1.0
 
 name                wannier90
-version             1.2
+version             2.0.0
 categories          science
 platforms           darwin
 license             GPL-2+
@@ -21,30 +21,42 @@
 homepage            http://www.wannier.org/
 master_sites        ${homepage}code/
 
-checksums           rmd160  4a8035ed4faf5256ad66aa9fe23ac32a86b3abf4 \
-                    sha1    b4caaddb6e91afe673c122507e92c6b5fbc7689f
+checksums           rmd160  58a58f75fd9ebb08965f7c87dd9fdb90dbaa20fc \
+                    sha1    1d257c542327cdcf7481450170fb5887a90673a0
 
+# TODO: enable use of Accelerate instead (will need f2c or veclibfort)
 depends_lib         port:atlas
 
-use_configure       no
+# fixes dependencies to enable parallel build
+patchfiles          patch-utility-w90pov-Makefile.diff
 
+configure {
+    file copy ${worksrcpath}/config/make.sys.macosx ${worksrcpath}/make.sys
+}
+
+# TODO: enable use of MPI
 pre-build {
-    build.args      F90=${configure.f90} FCOPTS="-O3" LDOPTS="-O3"
+    build.args      F90=${configure.f90} FCOPTS="-O3" LDOPTS="-O3" COMMS="" MPIF90=""
     if {[variant_isset threads]} {
         build.args-append LIBS="-L${prefix}/lib -ltatlas"
     } else {
         build.args-append LIBS="-L${prefix}/lib -lsatlas"
     }
+    build.target    all w90pov w90vdw
 }
 
-use_parallel_build  no
+use_parallel_build  yes
 
 destroot {
-    xinstall ${worksrcpath}/wannier90.x  ${destroot}${prefix}/bin/
-    xinstall ${worksrcpath}/libwannier.a ${destroot}${prefix}/lib/
+    xinstall ${worksrcpath}/wannier90.x              ${destroot}${prefix}/bin/
+    xinstall ${worksrcpath}/postw90.x                ${destroot}${prefix}/bin/
+    xinstall ${worksrcpath}/w90chk2chk.x             ${destroot}${prefix}/bin/
+    xinstall ${worksrcpath}/utility/w90pov/w90pov    ${destroot}${prefix}/bin/
+    xinstall ${worksrcpath}/utility/w90vdw/w90vdw.x  ${destroot}${prefix}/bin/
+    xinstall ${worksrcpath}/libwannier.a             ${destroot}${prefix}/lib/
 }
 
-compilers.choose    fc f77 f90
+compilers.choose    f90
 compilers.setup     require_fortran
 
 if {![fortran_variant_isset]} {
@@ -53,6 +65,11 @@
 
 variant threads description {Build with threaded ATLAS} {}
 
+test.run    yes
+post-test {
+    ui_notice "Examine the file ${worksrcpath}/tests/wantest.log."
+}
+
 livecheck.type      regex
 livecheck.url       [lindex ${master_sites} 0]
 livecheck.regex     ${name}-(\[0-9.\]+)${extract.suffix}

Added: trunk/dports/science/wannier90/files/patch-utility-w90pov-Makefile.diff
===================================================================
--- trunk/dports/science/wannier90/files/patch-utility-w90pov-Makefile.diff	                        (rev 0)
+++ trunk/dports/science/wannier90/files/patch-utility-w90pov-Makefile.diff	2014-09-16 23:01:33 UTC (rev 125404)
@@ -0,0 +1,20 @@
+--- utility/w90pov/Makefile.orig	2014-09-16 14:48:52.000000000 -0400
++++ utility/w90pov/Makefile	2014-09-16 14:51:17.000000000 -0400
+@@ -60,7 +60,7 @@
+ 	@cp $(subst $(OBJ),$(SRC),$(subst .o,.f90,$@)) $(OBJ)/
+ 	@cd $(OBJ) ; $(F90) $(FCOPTS) -c $(subst $(OBJ)/,./,$(subst .o,.f90,$@))
+ 
+-$(OBJ)/io.o: $(SRC)/io.f90
++$(OBJ)/io.o: $(SRC)/io.f90 $(OBJ)/general.o
+ 	@echo ".compiling file $(subst $(OBJ),$(SRC),$(subst .o,.f90,$@))"
+ 	@rm -f $@
+ 	@cp $(subst $(OBJ),$(SRC),$(subst .o,.f90,$@)) $(OBJ)/
+@@ -72,7 +72,7 @@
+ 	@cp $(subst $(OBJ),$(SRC),$(subst .o,.c,$@)) $(OBJ)/
+ 	@cd $(OBJ) ; $(CC) $(CFLAGS) -c $(subst $(OBJ)/,./,$(subst .o,.c,$@))
+ 
+-$(OBJ)/driver.o: $(GENMODS) $(SRC)/driver.f90
++$(OBJ)/driver.o: $(GENMODS) $(SRC)/driver.f90 $(OBJ)/general.o $(OBJ)/io.o
+ 	@echo ".compiling file $(subst $(OBJ),$(SRC),$(subst .o,.f90,$@))"
+ 	@rm -f $@
+ 	@cp $(subst $(OBJ),$(SRC),$(subst .o,.f90,$@)) $(OBJ)/
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